N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

C17H12Cl2FN3O — CID 110299582

IUPACN-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O/c1-23-16(10-2-5-12(20)6-3-10)9-15(22-23)17(24)21-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,21,24)
InChIKeySEXPAICUBCQVJY-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.79
Rot. Bonds3

About N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide

N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110299582) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110299582
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O/c1-23-16(10-2-5-12(20)6-3-10)9-15(22-23)17(24)21-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,21,24)
InChIKeySEXPAICUBCQVJY-UHFFFAOYSA-N
XLogP4.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-fluorophenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 50945386
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(3-bromo-4-methylphenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110299551
5-(4-fluorophenyl)-1-methyl-N-(2-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 110299569
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 27666998
N-(2,4-dichlorophenyl)-6-(4-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112849915
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110299626
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
N-(2-chloro-4,6-dimethylphenyl)-1-methyl-5-(4-methylphenyl)pyrazole-3-carboxamide
CID 110299434
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide (CID 110299582) is N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Cl)cc2Cl)cc1-c1ccc(F)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is SEXPAICUBCQVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c1-23-16(10-2-5-12(20)6-3-10)9-15(22-23)17(24)21-14-7-4-11(18)8-13(14)19/h2-9H,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide?
N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 364.21 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110299582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).